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PUBCHEM-ZINC05667223

 MMsINC code: MMs03340522
Type: Neutral
Formula: C19H30N4O4
SMILES:   O1CCN(CC1)CCC\N=C(/C)\C1C(=O)N(C2CCCCC2)C(=O)NC1=O
InChI:   InChI=1/C19H30N4O4/c1-14(20-8-5-9-22-10-12-27-13-11-22)16-17(24)21-19(26)23(18(16)25)15-6-3-2-4-7-15/h15-16H,2-13H2,1H3,(H,21,24,26)/b20-14+/t16-/m1/s1

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Potential Energy
Epot(MMFF94)=39.7893 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.473 g/mol  logS: -2.47404  SlogP: 1.1969  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0486411  Sterimol/B1: 2.16287  Sterimol/B2: 2.6703  Sterimol/B3: 5.60148
  Sterimol/B4: 6.38108  Sterimol/L: 20.1645 
 
 Surface and Volume Properties
  Accessible surface: 652.229  Positive charged surface: 515.916  Negative charged surface: 136.313  Volume: 364.75
  Hydrophobic surface: 521.742  Hydrophilic surface: 130.487
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs03340525
PUBCHEM-ZINC05667223


MMs03340524
PUBCHEM-ZINC05667223


MMs03340523
PUBCHEM-ZINC05667223